Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL546949 | 0.84 | ALDH1A1 (0.50) | TSHRALDH1A1ALOX5PTGS1PTGS2 | |
| Benzyl Alcohol SCHEMBL29055906 | 0.84 | TSHR (0.64) | TSHRPPARGPPARAALDH1A1LMNA | |
| Ammonia Solution, Strong SCHEMBL28640315 | 0.82 | ALDH1A1 (0.48) | TSHRALDH1A1ALOX5PTGS1PTGS2 | |
| Styrene SCHEMBL28123085 | 0.80 | TSHR (0.64) | TSHRPPARGPPARAALDH1A1LMNA | |
| SCHEMBL4378115 | 0.79 | NPC1 (0.49) | TSHRALDH1A1ALOX5PTGS1PTGS2 | |
| SCHEMBL4378113 | 0.79 | NPC1 (0.49) | TSHRALDH1A1ALOX5PTGS1PTGS2 | |
| SCHEMBL164874 | 0.78 | ALDH1A1 (0.58) | TSHRALDH1A1LMNA | |
| SCHEMBL101981 | 0.78 | PTGS1 (0.52) | TSHRALOX5PTGS1PTGS2LMNA | |
| Alcohol SCHEMBL5686049 | 0.77 | ALDH1A1 (0.50) | TSHRTRPA1ALDH1A1 | |
| Isobutylbenzene SCHEMBL27662830 | 0.77 | SIGMAR1 (0.52) | TRPA1HTR2ASLC6A2TAAR1MAOA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101384531-A | Liquid-crystalline styryl derivative, process for producing the same, and liquid-crystalline semiconductor element employing the same | UNIV YAMANASHI (JP) | 2009-03-11 | — | — | CN | disclosed |